[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3-chloro-5-ethoxy-4-hydroxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-hydroxybenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-hydroxy-benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H28ClNO5 MolecularWeight: 421.91442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)Cl)O

InChI

InChI=1S/C22H28ClNO5/c1-2-28-18-7-16(6-17(23)20(18)26)21(27)29-11-19(25)24-12-22-8-13-3-14(9-22)5-15(4-13)10-22/h6-7,13-15,26H,2-5,8-12H2,1H3,(H,24,25)